N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide

C18H20N2O2 — CID 71809538

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O2/c1-22-17-11-12-20(13-17)16-9-7-15(8-10-16)19-18(21)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,19,21)
InChIKeyXMTWIIGEBUVGHN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.16
Rot. Bonds4

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide (PubChem CID 71809538) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
PubChem CID71809538
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
SMILESCOC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O2/c1-22-17-11-12-20(13-17)16-9-7-15(8-10-16)19-18(21)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,19,21)
InChIKeyXMTWIIGEBUVGHN-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-phenoxybenzamide
CID 90595819
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]quinoxaline-6-carboxamide
CID 97427664
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 72719161
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90595310
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide (CID 71809538) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide is COC1CCN(c2ccc(NC(=O)c3ccccc3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is XMTWIIGEBUVGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-17-11-12-20(13-17)16-9-7-15(8-10-16)19-18(21)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,19,21).
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 71809538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).